SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D NOESY 1 mM OF UNLABELED DNA ~10mM NaCL H2O 5.8 AMBIENT 288
2 DQF-COSY 1 mM OF UNLABELED DNA ~10mM NaCL H2O 5.8 AMBIENT 288
3 TOCSY 1 mM OF UNLABELED DNA ~10mM NaCL H2O 5.8 AMBIENT 288
4 31P-1H HETERO-TOCSY 1 mM OF UNLABELED DNA ~10mM NaCL H2O 5.8 AMBIENT 288
5 13C-1H HSQC 1 mM OF UNLABELED DNA ~10mM NaCL H2O 5.8 AMBIENT 288
6 HMBC 1 mM OF UNLABELED DNA ~10mM NaCL H2O 5.8 AMBIENT 288
7 31P-1H HETERO-COSY 1 mM OF UNLABELED DNA ~10mM NaCL H2O 5.8 AMBIENT 288
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Varian INOVA 500
NMR Refinement
Method Details Software
NMR-BASED SIMULATED ANNEALING ? 1
NMR Ensemble Information
Conformer Selection Criteria structures with the least restraint violations
Conformers Calculated Total Number 100
Conformers Submitted Total Number 1
Representative Model 1 (fewest violations and lowest energy)
Computation: NMR Software
# Classification Version Software Name Author
1 refinement 3.851 X-PLOR BRUNGER, A.T.
2 processing 98 Felix MSI
3 collection 6.2 VNMR VARIAN
4 data analysis 2.4 MOLMOL Koradi et al.
5 data analysis ? Curves Lavery & Sklenar
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